4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

C15H12FN3S — CID 43234338

IUPAC4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H12FN3S/c16-11-4-6-12(7-5-11)18-9-13-10-20-15(19-13)14-3-1-2-8-17-14/h1-8,10,18H,9H2
InChIKeyQUMAMXYCFTWFDA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.96
Rot. Bonds4

About 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43234338) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43234338
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H12FN3S/c16-11-4-6-12(7-5-11)18-9-13-10-20-15(19-13)14-3-1-2-8-17-14/h1-8,10,18H,9H2
InChIKeyQUMAMXYCFTWFDA-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (CID 43234338) is 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is Fc1ccc(NCc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is QUMAMXYCFTWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-11-4-6-12(7-5-11)18-9-13-10-20-15(19-13)14-3-1-2-8-17-14/h1-8,10,18H,9H2.
What are the key properties of 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 285.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43234338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).